4-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[(5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCC#N

InChI

InChI=1S/C22H21N5OS/c1-2-28-17-11-9-16(10-12-17)27-21(25-26-22(27)29-14-6-5-13-23)19-15-24-20-8-4-3-7-18(19)20/h3-4,7-12,15,25H,2,5-6,14H2,1H3